N-hydroxy-5-nitrothiophene-2-carboxamide

C5H4N2O4S — CID 103601594

IUPACN-hydroxy-5-nitrothiophene-2-carboxamide
SMILESO=C(NO)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C5H4N2O4S/c8-5(6-9)3-1-2-4(12-3)7(10)11/h1-2,9H,(H,6,8)
InChIKeyBXEWALAZTMDXJN-UHFFFAOYSA-N
MW188.16 g/mol
LogP0.78
Rot. Bonds2

About N-hydroxy-5-nitrothiophene-2-carboxamide

N-hydroxy-5-nitrothiophene-2-carboxamide (PubChem CID 103601594) has the molecular formula C5H4N2O4S and a molecular weight of 188.16 g/mol. Its IUPAC name is N-hydroxy-5-nitrothiophene-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-nitrothiophene-2-carboxamide
PubChem CID103601594
Molecular FormulaC5H4N2O4S
Molecular Weight188.16 g/mol
Exact Mass187.99
IUPAC NameN-hydroxy-5-nitrothiophene-2-carboxamide
SMILESO=C(NO)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C5H4N2O4S/c8-5(6-9)3-1-2-4(12-3)7(10)11/h1-2,9H,(H,6,8)
InChIKeyBXEWALAZTMDXJN-UHFFFAOYSA-N
XLogP0.78
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(5-bromothiophene-2-carbonyl)-5-nitrothiophene-2-carbohydrazide
CID 26662499
N-(5-amino-1,3,4-thiadiazol-2-yl)-5-nitrothiophene-2-carboxamide
CID 114033605
N-(2-chloroprop-2-enyl)-5-nitrothiophene-2-carboxamide
CID 115636478
N-(2-methoxyethoxy)-5-nitrothiophene-2-carboxamide
CID 79676242
N-benzhydryl-5-nitrothiophene-2-carboxamide
CID 2713445
2-[(E)-1,2-difluoro-2-(5-nitrothiophen-2-yl)ethenyl]-5-nitrothiophene
CID 10615473
N-(3-bromo-4-fluorophenyl)-5-nitrothiophene-2-carboxamide
CID 113245227
N-(2-bromo-5-chlorophenyl)-5-nitrothiophene-2-carboxamide
CID 113266436
N-(1-hydroxy-3-methylbutan-2-yl)-5-nitrothiophene-2-carboxamide
CID 79253129
N-(1-hydroxybutan-2-yl)-5-nitrothiophene-2-carboxamide
CID 43390314
N-[[4-(aminomethyl)phenyl]methyl]-5-nitrothiophene-2-carboxamide
CID 81090025
N-[1-(hydroxymethyl)cyclopentyl]-5-nitrothiophene-2-carboxamide
CID 55082053

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-nitrothiophene-2-carboxamide?
The IUPAC name of N-hydroxy-5-nitrothiophene-2-carboxamide (CID 103601594) is N-hydroxy-5-nitrothiophene-2-carboxamide.
What is the SMILES notation for N-hydroxy-5-nitrothiophene-2-carboxamide?
The canonical SMILES for N-hydroxy-5-nitrothiophene-2-carboxamide is O=C(NO)c1ccc([N+](=O)[O-])s1.
What is the InChIKey of N-hydroxy-5-nitrothiophene-2-carboxamide?
The InChIKey is BXEWALAZTMDXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O4S/c8-5(6-9)3-1-2-4(12-3)7(10)11/h1-2,9H,(H,6,8).
What are the key properties of N-hydroxy-5-nitrothiophene-2-carboxamide?
N-hydroxy-5-nitrothiophene-2-carboxamide has a molecular weight of 188.16 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-nitrothiophene-2-carboxamide is sourced from PubChem (CID 103601594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).